Geometry & MOs

Info

ID:	366460
PubChem CID:	127319949
Reduced:	SN3O3C19H35 (1)
Stoich.:	AB3C3D19E35 (1)
Weight, g/mol:	354.208947
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	6.32
IP(EA), eV:	-8.54(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations